1,2-Dichlorobenzene
SmallMolecule
T3DB_ID
T3D0172
描述
1,2-Dichlorobenzene (1,2-DCB), or ortho-dichlorobenzene, is an organic compound with the formula C6H4Cl2. This colourless liquid is poorly soluble in water but miscible with most organic solvents. 1,2-Dichlorobenzene contains two chlorine atoms connected to one benzene molecule. Most of the 1,2-DCB released into the environment is present as a vapor. 1,2-DCB can burn, but they do not burn easily. (L395, L553)
类别
"Household Toxin", "Industrial/Workplace Toxin", "Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"1,2-Dichlorbenzene", "Chloroben", "Chloroden", "Cloroben", "Dichloricide", "Dichlorobenzene", "Dichlorobenzol", "Dilantin DB", "Dizene", "Dowtherm e", "o-dichlor benzol", "o-dichlorbenzene", "o-dichlorbenzol", "o-Dichlorobenzene", "o-dichlorobenzol", "ODB", "ODCB", "ortho-Dichlorobenzene", "Orthodichlorobenzene", "Orthodichlorobenzol"
CAS登记号
95-50-1
化学式
C6H4Cl2
平均分子量
147.002
单同位素质量
145.969005542
IUPAC 名称
1,2-dichlorobenzene
传统名称
o-dichlorobenzene
简化分子线性输入规范
ClC1=CC=CC=C1Cl
InChI 标识符
InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey=RFFLAFLAYFXFSW-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Benzenoids
类型
Benzene and substituted derivatives
子类
Halobenzenes
直接大类
Dichlorobenzenes
另外分类
"Aryl chlorides", "Hydrocarbon derivatives", "Organochlorides"
取代基
"1,2-dichlorobenzene", "Aromatic homomonocyclic compound", "Aryl chloride", "Aryl halide", "Hydrocarbon derivative", "Organochloride", "Organohalogen compound"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"a chloroaromatic compound", "dichlorobenzene"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
生物流体位置
组织位置
途径
状态
Liquid
外貌
熔点/沸点/溶解度
−17.03 °C/180.5 °C/0.156 mg/mL at 25 °C [BANERJEE,S et al. (1980)]
日志P
暴露途径
Inhalation (L554) ; oral (L554) ; dermal (L554)
毒性机制
1,2-DCB was found to covalently bind to DNA, RNA, and proteins of liver, kidney, lung, and stomach. (L395)
代谢
After absorption, 1,2-DCB ist distributed in blood, the urinary bladder, kidney, fat, and liver. The initial step in the metabolism of 1,2-DCB is metabolism by cytochrome P-450 isozymes, mainly P4502E1, to an active epoxide. This epoxide can either react directly with cellular components, be conjugated to glutathione or glucuronic acid, or be hydrolyzed to form 2,3-dichlorophenol or 3,4-dichlorophenol. The dichlorophenol metabolites can be further metabolized by conjugation with glutathione, glucuronic acid, or sulfate, or further oxidized to catechols. An additional oxidation to form dichlorohydroquinone metabolites has also been proposed. Microsomal studies have implicated cytochrome P-450, and particularly P4502E1, as a major component of 1,2-DCB metabolism, resulting in the formation of dichlorophenols, dichlorocatechols, and dichlorohydroquinones. 1,2-DCB is eliminated primarily in the urine as metabolites rather than as the parent compound. (L395)
毒性值
LD50: 500 mg/kg (Oral, Rat) (L395)
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
Exposure may result from breathing contaminated air, drinking contaminated water or eating contaminated food, and skin contact. (L395)
最低风险等级
Acute Oral: 0.7 mg/kg/day (Rat and Mouse) (L134) Intermediate Oral: 0.6 mg/kg/day (Rat and Mouse) (L134) Chronic Oral: 0.3 mg/kg/day (Rat and Mouse) (L134)
健康影响
Inhaling the vapor or dusts of 1,2-DCB at very high concentrations could be very irritating to eyes and nose and cause burning and tearing of the eyes, coughing, difficult breathing, and an upset stomach. Ingestion of 1,2-DCB can cause effects in the kidneys and blood, and that 1,3-DCB caused thyroid and pituitary effects. (L395)
症状
Cough, drowsiness, sore throat and unconsciousness can result from inhalation. Burning sensation, diarrhoea, nausea and vomiting can follow ingestion. In case of dermal or eye exposure, redness and pain of the exposed surface can occur. Moreover, skin exposure can cause skin dryness. (L554)
治疗
Following oral exposure, administer charcoal as a slurry; administer oxygen to all cyanotic or symptomatic patients. In case of methemoglobinemia, administer 1 to 2 mg/kg of 1% methylene blue slowly IV in symptomatic patients; also consider adjunctive therapy. In case of inhalation exposure, move patient to fresh air; monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, skin should be thoroughly washed with soap and water; contaminated clothing and shoes should be discarded. Administer 100 percent humidified supplemental oxygen with assisted ventilation as required. Treat for methemoglobinemia and sequelae. Signs and symptoms of methemoglobinemia may be delayed. (T36)
药库 ID
HMDB_ID
PubChem 化合物 ID
7239
维基百科链接
创建于
2009-03-06 18:58:13 UTC
更新于
2014-12-24 20:21:16 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0172 1,2-Dichlorobenzene Estrogen receptor beta
T3D0172 1,2-Dichlorobenzene Estrogen receptor alpha
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit beta-3
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit beta-2
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit beta-1
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-4
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-3
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-2
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit alpha-1
T3D0172 1,2-Dichlorobenzene Sodium/potassium-transporting ATPase subunit gamma
T3D0172 1,2-Dichlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0172 1,2-Dichlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0172 1,2-Dichlorobenzene Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0172 1,2-Dichlorobenzene Plasma membrane calcium-transporting ATPase 4
T3D0172 1,2-Dichlorobenzene Plasma membrane calcium-transporting ATPase 3
T3D0172 1,2-Dichlorobenzene Plasma membrane calcium-transporting ATPase 2
T3D0172 1,2-Dichlorobenzene Plasma membrane calcium-transporting ATPase 1
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit theta
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit rho-3
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit rho-2
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit rho-1
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit pi
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit gamma-3
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit gamma-2
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit gamma-1
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit epsilon
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit delta
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit beta-3
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit beta-2
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit beta-1
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-6
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-5
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-4
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-3
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-2
T3D0172 1,2-Dichlorobenzene Gamma-aminobutyric acid receptor subunit alpha-1
T3D0172 1,2-Dichlorobenzene Calcium-transporting ATPase type 2C member 2
T3D0172 1,2-Dichlorobenzene Calcium-transporting ATPase type 2C member 1
T3D0172 1,2-Dichlorobenzene Cytochrome P450 4F12
T3D0172 1,2-Dichlorobenzene RNA
T3D0172 1,2-Dichlorobenzene DNA
T3D0172 1,2-Dichlorobenzene Glutathione S-transferase P
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